1-(4-Chlorobenzoyl)piperidin-4-one

Base Information

• Chemical Name: 1-(4-Chlorobenzoyl)piperidin-4-one
• CAS No.: 144947-47-7
• Molecular Formula: C12H12 Cl N O2
• Molecular Weight: 237.686
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20570316
• Wikidata: Q82457717
• Mol file: 144947-47-7.mol

Synonyms:1-(4-Chlorobenzoyl)piperidin-4-one;144947-47-7;1-(4-CHLORO-BENZOYL)-PIPERIDIN-4-ONE;1-(4-Chlorobenzoyl)-4-piperidone;4-Piperidinone, 1-(4-chlorobenzoyl)-;1-[(4-chlorophenyl)carbonyl]piperidin-4-one;SCHEMBL1799068;DTXSID20570316;VVTSPGAEYDBBSQ-UHFFFAOYSA-N;N-(4-Chlorobenzoyl)-4-piperidone;4-Chloro-2-(chloromethyl)-quinoline;AKOS000187101;AB19495;AC-13260;CS-0217482;EN300-75190;F79971;A808298;Z33618750

Chemical Property of 1-(4-Chlorobenzoyl)piperidin-4-one

Chemical Property:

• Vapor Pressure: 3.48E-07mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 417.7°Cat760mmHg
• Flash Point: 206.4°C
• PSA: 37.38000
• Density: 1.298g/cm³
• LogP: 2.08300
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 237.0556563
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorobenzoyl)piperidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorobenzoyl)piperidin-4-one

There total 2 articles about 1-(4-Chlorobenzoyl)piperidin-4-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4-piperidone hydrochloride (41979-39-9) + 4-chloro-benzoyl chloride (122-01-0) → 1-(4-chlorobenzoyl)-4-piperidone (144947-47-7)

Guidance literature:

With triethylamine; dmap; In dichloromethane; at -10 - 20 ℃; for 16h;

Reference yield:

4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) + 4-chloro-benzoyl chloride (122-01-0) → 1-(4-chlorobenzoyl)-4-piperidone (144947-47-7)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; ethyl acetate; Petroleum ether;

Reference yield: 98.0%

1-(4-chlorobenzoyl)-4-piperidone (144947-47-7) + phenylalanine amide hydrochloride (108321-83-1) → 3-(S,R)-benzyl-8-(4-chloro-benzoyl)-1,4,8-triaza-spiro[4.5]decan-2-one

Guidance literature:

1-(4-chlorobenzoyl)-4-piperidone; phenylalanine amide hydrochloride; With triethylamine; In ethanol; at 20 ℃; for 18.5h; Heating / reflux;

With sodium hydroxide; In dichloromethane; water; pH=> 7;

upstream raw materials:

4-piperidone hydrochloride

4-chloro-benzoyl chloride

4-piperidone monohydrochloride monohydrate

Downstream raw materials:

BIB₅₁₅

C₂₆H₃₁ClN₆O₂

1-(4-chlorobenzoyl)-4,4-dimethoxy-3-fluoropiperidine

C₁₂H₁₁ClFNO₂